SCHEMBL19202583

SCHEMBL19202583

C=CC(=O)N1CCCC(c2cc(C=N)c(N)c(-c3ccc(Oc4ccccc4)cc3)n2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.70
EGFR P00533 6/20 0.56
TEC P42680 4/20 0.56
BMX P51813 3/20 0.53
TXK P42681 2/20 0.53
LYN P07948 2/20 0.53
FGFR2 P21802 2/20 0.53
ITK Q08881 2/20 0.53
RIPK2 O43353 1/20 0.53
NR1I2 O75469 1/20 0.53
SLC22A3 O75751 1/20 0.53
LATS1 O95835 1/20 0.53
NUDT14 O95848 1/20 0.53
ABL1 P00519 1/20 0.53
ERBB2 P04626 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
PGR P06401 1/20 0.53
CSF1R P07333 1/20 0.53
YES1 P07947 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19202397 0.96 BTK (0.64) BTKEGFRTECBMXITK
SCHEMBL19203239 0.96 BTK (0.64) BTKEGFRTECBMXITK
SCHEMBL19202565 0.90 BTK (0.68) BTKEGFRTECBMXITK
SCHEMBL19202369 0.88 BTK (0.70) BTKEGFRTECBMXTXK
SCHEMBL24083394 0.86 BTK (0.52) BTKEGFRTECITKLCK
SCHEMBL18800410 0.85 BTK (0.67) BTKEGFRTECBMXTXK
SCHEMBL19202675 0.85 BTK (0.70) BTKEGFRBMXITKLCK
SCHEMBL24083370 0.84 BTK (0.51) BTKEGFRTECBMXITK
SCHEMBL19203232 0.84 BTK (0.50) BTKEGFRTECBMXTXK
SCHEMBL24083383 0.83 BTK (0.53) BTKEGFRTEC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409672-B1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2021-12-08 EP disclosed
WO-2017128917-A1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES 北京诺诚健华医药科技有限公司 2017-08-03 WO disclosed